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Compound Detail

CHEMBL3361133

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O=C(O)CN(CC(=O)NO)NCCCN1CCN(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3361133
Phase Preclinical
Structure Type MOL
InChI Key OXHINFXKMBBQBH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
-0.40
ALogP
7
HBA
4
HBD
108.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H27N5O4
MW 365.43
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
25462250 10.1016/j.ejmech.2014.10.009 Elastase 2
25462250 10.1016/j.ejmech.2014.10.009 Unchecked 1

Data from ChEMBL 36 via Core Engine